SCHEMBL9518907

SCHEMBL9518907

OCC1CC1c1ccc(C=C(Br)Br)cc1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 8/20 0.40
SLC6A4 P31645 8/20 0.40
SLC6A3 Q01959 8/20 0.40
HTR2C P28335 13/20 0.40
HTR2B P41595 12/20 0.40
HTR2A P28223 8/20 0.36
MAOB P27338 2/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9518913 1.00 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3HTR2CHTR2B
SCHEMBL2826045 0.76 HTR2C (0.66) SLC6A2SLC6A4SLC6A3HTR2CHTR2B
SCHEMBL2826042 0.76 HTR2C (0.66) SLC6A2SLC6A4SLC6A3HTR2CHTR2B
SCHEMBL4893904 0.76 HTR2C (0.66) SLC6A2SLC6A4SLC6A3HTR2CHTR2B
SCHEMBL9516824 0.75 KDM1A (0.43) SLC6A2SLC6A4SLC6A3HTR2CHTR2B
SCHEMBL9516818 0.75 KDM1A (0.43) SLC6A2SLC6A4SLC6A3HTR2CHTR2B
SCHEMBL16585035 0.72 HTR2C (0.66) SLC6A2SLC6A4SLC6A3HTR2CHTR2B
SCHEMBL16569276 0.72 HTR2C (0.41) SLC6A2SLC6A4SLC6A3HTR2CHTR2B
SCHEMBL19262111 0.72 HTR2C (0.63) SLC6A2SLC6A4SLC6A3HTR2CHTR2B
SCHEMBL17080568 0.72 HTR2C (0.41) SLC6A2SLC6A4SLC6A3HTR2CHTR2B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0369762-B1 Pesticides ROUSSEL UCLAF (FR) 1993-12-29 EP disclosed
EP-0369762-A1 Pesticides ROUSSEL-UCLAF (FR) 1990-05-23 EP disclosed